SCHEMBL8021179

SCHEMBL8021179

CC(C)(C)OC(=O)N(CCCCS(C)(=O)=O)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC2 Q92769 2/20 0.50
NCOR2 Q9Y618 2/20 0.50
L3MBTL1 Q9Y468 4/20 0.45
RCE1 Q9Y256 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
AKT1 P31749 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
BACE1 P56817 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8525848 0.87 HDAC3 (0.56) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL8021840 0.85 HDAC3 (0.55) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL2797220 0.85 HDAC3 (0.47) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL5737640 0.84 HDAC1 (0.54) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL7973240 0.83 HDAC1 (0.53) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL13617413 0.83 HDAC3 (0.53) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL7983340 0.83 HDAC1 (0.53) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL6379732 0.83 HDAC1 (0.53) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL5738539 0.83 HDAC3 (0.53) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL1848202 0.83 HDAC1 (0.52) HDAC1HDAC3HDAC2NCOR2L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114394-A Polyamine derivatives as radioprotective agents MERRELL PHARMACEUTICALS INC. (US) 2000-09-05 US disclosed
EP-0686142-B1 POLYAMINE DERIVATIVES AS RADIOPROTECTIVE AGENTS MERRELL PHARMA INC (US) 1998-12-30 EP disclosed
EP-0399519-B1 Potentiating cell-mediated immunity utilizing polyamine derivatives MERRELL PHARMA INC (US) 1996-08-07 EP disclosed
CN-1118160-A Polyamine derivatives as radioprotectors MERRELL DOW PHARMA (US) 1996-03-06 CN disclosed
EP-0686142-A1 POLYAMINE DERIVATIVES AS RADIOPROTECTIVE AGENTS MERRELL PHARMACEUTICALS INC. (US) 1995-12-13 EP disclosed
WO-1994019311-A1 POLYAMINE DERIVATIVES AS RADIOPROTECTIVE AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1994-09-01 WO disclosed
EP-0277635-B1 Novel polyamine derivatives MERRELL DOW PHARMA (US) 1994-01-05 EP disclosed
EP-0399519-A2 Potentiating cell-mediated immunity utilizing polyamine derivatives MERRELL PHARMACEUTICALS INC. (US) 1990-11-28 EP disclosed
EP-0277635-A2 Novel polyamine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1988-08-10 EP disclosed